| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1SC)N1CC(CC(C1)C(N)=O)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C16H21N3O3S/c1-23-13-5-3-2-4-10(13)7-14(20)19-8-11(15(17)21)6-12(9-19)16(18)22/h2-5,11-12H,6-9H2,1H3,(H2,17,21)(H2,18,22)/t11-,12+ |
| InChIKey | InChI | 1.06 | QGOOPSUEGGPXHT-TXEJJXNPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2C[C@@H](C[C@@H](C2)C(N)=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1ccccc1CC(=O)N2C[CH](C[CH](C2)C(N)=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1CC(=O)N2C[C@@H](C[C@@H](C2)C(=O)N)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1ccccc1CC(=O)N2CC(CC(C2)C(=O)N)C(=O)N |
